- InChI
- InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
- InChI Key
- XMSJLUKCGWQAHO-UHFFFAOYSA-N
- Formula
- C21H18O2
- SMILES
-
O=C(O)CC(c1ccccc1)(c1ccccc1)c1
ccccc1 - Molecular Weight1
- 302.37
- CAS
- 900-91-4
- Other Names
-
- Tritylacetic acid
- 2-Triphenylmethyl acetic acid
- Benzenepropanoic acid, «beta»,«beta»-diphenyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 200.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -40.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.496 | Crippen Calculated Property | |
| McVol | 242.910 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Tboil | 902.74 | K | Joback Calculated Property |
| Tc | 1150.28 | K | Joback Calculated Property |
| Tfus | 518.86 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.89; 792.38] | J/mol×K | [902.74; 1150.28] | 
|
| Cp,gas | 727.89 | J/mol×K | 902.74 | Joback Calculated Property |
| Cp,gas | 740.62 | J/mol×K | 944.00 | Joback Calculated Property |
| Cp,gas | 752.35 | J/mol×K | 985.25 | Joback Calculated Property |
| Cp,gas | 763.22 | J/mol×K | 1026.51 | Joback Calculated Property |
| Cp,gas | 773.41 | J/mol×K | 1067.77 | Joback Calculated Property |
| Cp,gas | 783.07 | J/mol×K | 1109.02 | Joback Calculated Property |
| Cp,gas | 792.38 | J/mol×K | 1150.28 | Joback Calculated Property |
| η | [0.0000102; 0.0004401] | Pa×s | [518.86; 902.74] |
|
| η | 0.0004401 | Pa×s | 518.86 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 582.84 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 646.82 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 710.80 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 774.78 | Joback Calculated Property |
| η | 0.0000150 | Pa×s | 838.76 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 902.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,3-Triphenylpropionic acid.
Sources
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